CID 44151794

93982-41-3

Structural Information

Molecular Formula
C9H18O5
SMILES
C=CCOC(CCOCC(CO)O)O
InChI
InChI=1S/C9H18O5/c1-2-4-14-9(12)3-5-13-7-8(11)6-10/h2,8-12H,1,3-7H2
InChIKey
WZNPFTFNSFSTNM-UHFFFAOYSA-N
Compound name
3-(3-hydroxy-3-prop-2-enoxypropoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.11542 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12270 147.9
[M+Na]+ 229.10464 152.2
[M-H]- 205.10814 143.3
[M+NH4]+ 224.14924 164.5
[M+K]+ 245.07858 151.2
[M+H-H2O]+ 189.11268 142.7
[M+HCOO]- 251.11362 165.5
[M+CH3COO]- 265.12927 179.3
[M+Na-2H]- 227.09009 149.3
[M]+ 206.11487 149.8
[M]- 206.11597 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.